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86728-87-2 | Butanoic acid, 4-chloro-3-oxo-, pentyl ester
CAS No: 86728-87-2 Catalog No: AG004K8Q MDL No:
Product Description
Catalog Number:
AG004K8Q
Chemical Name:
Butanoic acid, 4-chloro-3-oxo-, pentyl ester
CAS Number:
86728-87-2
Molecular Formula:
C9H15ClO3
Molecular Weight:
206.6666
IUPAC Name:
pentyl 4-chloro-3-oxobutanoate
InChI:
InChI=1S/C9H15ClO3/c1-2-3-4-5-13-9(12)6-8(11)7-10/h2-7H2,1H3
InChI Key:
AQOKZYJLLBBVKG-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)CC(=O)CCl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.666g/mol
Monoisotopic Mass:
206.071g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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